N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide

C21H18ClN3O2 — CID 17235520

IUPACN-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClN3O2/c22-16-9-11-17(12-10-16)24-21(27)25-19-8-4-7-18(14-19)23-20(26)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,23,26)(H2,24,25,27)
InChIKeyDBXGEJHDDIFLAJ-UHFFFAOYSA-N
MW379.85 g/mol
LogP5.17
Rot. Bonds5

About N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide

N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide (PubChem CID 17235520) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
PubChem CID17235520
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H18ClN3O2/c22-16-9-11-17(12-10-16)24-21(27)25-19-8-4-7-18(14-19)23-20(26)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,23,26)(H2,24,25,27)
InChIKeyDBXGEJHDDIFLAJ-UHFFFAOYSA-N
XLogP5.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.85
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide
CID 17235513
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
CID 46736705
N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906050
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541
1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133168
N-(4-chlorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905978
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide (CID 17235520) is N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide?
The InChIKey is DBXGEJHDDIFLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-16-9-11-17(12-10-16)24-21(27)25-19-8-4-7-18(14-19)23-20(26)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,23,26)(H2,24,25,27).
What are the key properties of N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide?
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide has a molecular weight of 379.85 g/mol, XLogP of 5.17, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide is sourced from PubChem (CID 17235520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).